SCHEMBL29451699

SCHEMBL29451699

Cc1ncc([N+](=O)[O-])cc1SCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ POLB P06746 4/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ MAPT P10636 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ GSTP1 P09211 1/20 0.46
▸ GSTM2 P28161 1/20 0.46
▸ HPGD P15428 3/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SCN9A Q15858 1/20 0.44
▸ CTSB P07858 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23833481 0.83 ALDH1A1 (0.51) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL1819572 0.81 ALDH1A1 (0.54) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL25227297 0.79 SCN9A (0.50) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL29900515 0.77 ALDH1A1 (0.60) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL23092512 0.77 ALDH1A1 (0.60) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL1818273 0.77 MEN1 (0.52) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL21046986 0.77 SCN9A (0.48) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL22532648 0.77 SCN9A (0.48) ALDH1A1POLBKMT2ASMN1; SMN2MAPT
SCHEMBL1819203 0.75 MEN1 (0.57) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL1817759 0.75 KMT2A (0.53) ALDH1A1POLBMEN1KMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022032144-A1 SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-02-10 — — WO disclosed
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